[6-[(2-methoxy-3-octadecoxy-propoxy)-phenoxy-phosphoryl]oxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate

Systemtic Name: [6-[(2-methoxy-3-octadecoxy-propoxy)-phenoxy-phosphoryl]oxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate Openeye Name: [4,5-dibenzoyloxy-6-[(2-methoxy-3-octadecoxy-propoxy)-phenoxy-phosphoryl]oxy-tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [4,5-dibenzoyloxy-6-[(2-methoxy-3-octadecoxypropoxy)-phenoxyphosphoryl]oxy-3-oxanyl] ester IUPAC Name: [4,5-dibenzoyloxy-6-[(2-methoxy-3-octadecoxypropoxy)-phenoxyphosphoryl]oxyoxan-3-yl] benzoate Traditional Name: benzoic acid [4,5-dibenzoyloxy-6-[(2-methoxy-3-stearyloxy-propoxy)-phenoxy-phosphoryl]oxy-tetrahydropyran-3-yl] ester Formula: C54H71O13P MolecularWeight: 959.107501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(OC1C(C(C(CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC5=CC=CC=C5)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(OC1C(C(C(CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C54H71O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-39-60-40-47(59-2)41-62-68(58,66-46-37-28-21-29-38-46)67-54-50(65-53(57)45-35-26-20-27-36-45)49(64-52(56)44-33-24-19-25-34-44)48(42-61-54)63-51(55)43-31-22-18-23-32-43/h18-29,31-38,47-50,54H,3-17,30,39-42H2,1-2H3